N-(1,3-benzothiazol-2-yl)-1-(5-bromanylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(5-bromanylthiophen-2-yl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-[(5-bromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[(5-bromo-2-thiophenyl)sulfonyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-[(5-bromo-2-thienyl)sulfonyl]pyrrolidine-2-carboxamide Formula: C16H14BrN3O3S3 MolecularWeight: 472.39966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H14BrN3O3S3/c17-13-7-8-14(25-13)26(22,23)20-9-3-5-11(20)15(21)19-16-18-10-4-1-2-6-12(10)24-16/h1-2,4,6-8,11H,3,5,9H2,(H,18,19,21)